2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine

C17H21NO2 — CID 22680049

IUPAC2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccccc1OCCOc1ccccc1CCN
InChIInChI=1S/C17H21NO2/c1-14-6-2-4-8-16(14)19-12-13-20-17-9-5-3-7-15(17)10-11-18/h2-9H,10-13,18H2,1H3
InChIKeyHJCITKALMBYTFX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds7

About 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine

2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22680049) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22680049
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccccc1OCCOc1ccccc1CCN
InChIInChI=1S/C17H21NO2/c1-14-6-2-4-8-16(14)19-12-13-20-17-9-5-3-7-15(17)10-11-18/h2-9H,10-13,18H2,1H3
InChIKeyHJCITKALMBYTFX-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
ethane;2-(2-methylphenyl)ethanamine
CID 91237349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine (CID 22680049) is 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine is Cc1ccccc1OCCOc1ccccc1CCN.
What is the InChIKey of 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is HJCITKALMBYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14-6-2-4-8-16(14)19-12-13-20-17-9-5-3-7-15(17)10-11-18/h2-9H,10-13,18H2,1H3.
What are the key properties of 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22680049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).